[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

C19H32FNOSi — CID 67308441

IUPAC[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCNC1c1cccc(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H32FNOSi/c1-13(2)23(14(3)4,15(5)6)22-18-10-11-21-19(18)16-8-7-9-17(20)12-16/h7-9,12-15,18-19,21H,10-11H2,1-6H3/t18-,19?/m0/s1
InChIKeyKAGLJUUEAGTJMX-OYKVQYDMSA-N
MW337.56 g/mol
LogP5.42
Rot. Bonds6

About [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane

[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 67308441) has the molecular formula C19H32FNOSi and a molecular weight of 337.56 g/mol. Its IUPAC name is [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID67308441
Molecular FormulaC19H32FNOSi
Molecular Weight337.56 g/mol
Exact Mass337.22
IUPAC Name[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCNC1c1cccc(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H32FNOSi/c1-13(2)23(14(3)4,15(5)6)22-18-10-11-21-19(18)16-8-7-9-17(20)12-16/h7-9,12-15,18-19,21H,10-11H2,1-6H3/t18-,19?/m0/s1
InChIKeyKAGLJUUEAGTJMX-OYKVQYDMSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (CID 67308441) is [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H]1CCNC1c1cccc(F)c1)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is KAGLJUUEAGTJMX-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H32FNOSi/c1-13(2)23(14(3)4,15(5)6)22-18-10-11-21-19(18)16-8-7-9-17(20)12-16/h7-9,12-15,18-19,21H,10-11H2,1-6H3/t18-,19?/m0/s1.
What are the key properties of [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
[(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 337.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-(3-fluorophenyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 67308441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).